SCHEMBL7304711

SCHEMBL7304711

CC(C)[C@@H](NC(c1ccccc1)c1ccccc1)C(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.44
CTSS P25774 2/20 0.44
KLK5 Q9Y337 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ATM Q13315 1/20 0.39
CA2 P00918 1/20 0.38
APP P05067 1/20 0.38
S1PR3 Q99500 1/20 0.38
AKT1 P31749 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7307182 1.00 CTSK (0.44) CTSKCTSSKLK5MEN1KMT2A
SCHEMBL7353047 0.89 CTSK (0.45) CTSKCTSSKLK5MEN1KMT2A
SCHEMBL8086793 0.87 KMT2A (0.52) CTSKCTSSMEN1KMT2ASMN1; SMN2
SCHEMBL8075350 0.87 KMT2A (0.52) CTSKCTSSMEN1KMT2ASMN1; SMN2
SCHEMBL8083658 0.86 CTSK (0.46) CTSKCTSSMEN1KMT2AS1PR3
SCHEMBL7314443 0.82 CTSK (0.48) CTSKCTSSKLK5ATMAPP
SCHEMBL7313867 0.82 CTSK (0.48) CTSKCTSSKLK5ATMAPP
SCHEMBL7306604 0.81 MAPT (0.46) CTSKCTSSMEN1KMT2AALDH1A1
SCHEMBL9229477 0.80 AKT1 (0.38) CTSKCTSSKLK5MEN1KMT2A
SCHEMBL9331274 0.80 CTSK (0.53) CTSKCTSSMEN1KMT2AATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed